REMARK  Name = BDB041264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.284  -0.032  -1.327  0.00  0.00    -0.289 NA
ATOM      2  C   LIG    1       -1.677   0.482  -1.237  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1       -1.818  -0.292   0.101  0.00  0.00    +0.202 C 
ATOM      4  C   LIG    1       -0.276  -0.131   0.157  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.651   1.005  -1.802  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.438   1.254  -3.304  0.00  0.00    +0.029 C 
BRANCH   5  16
ATOM      7  C   LIG    1        6.942   0.129  -0.300  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        6.532   1.499   0.155  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        7.315   2.258   0.716  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        5.234   1.873  -0.081  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        4.975   2.796   0.236  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.304   1.048  -0.722  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.686  -0.217  -1.164  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        3.856  -1.076  -1.789  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        2.583  -0.649  -1.974  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.097   0.597  -1.567  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        2.994   1.464  -0.928  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        6.057  -0.658  -0.935  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        8.592  -0.706   1.400  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        8.365  -0.285  -0.045  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   5  16
ENDBRANCH   1   5
BRANCH   3  21
ATOM     21  O   LIG    1       -2.539   0.361   1.171  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.865   0.063   1.350  0.00  0.00    +0.175 A 
ATOM     23  C   LIG    1       -4.738  -0.468   0.403  0.00  0.00    +0.256 A 
ATOM     24  F   LIG    1       -4.306  -0.704  -0.845  0.00  0.00    -0.180 F 
ATOM     25  N   LIG    1       -6.039  -0.751   0.636  0.00  0.00    -0.211 NA
ATOM     26  C   LIG    1       -6.494  -0.476   1.887  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1       -5.712   0.071   2.895  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -4.376   0.346   2.615  0.00  0.00    +0.052 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.931  -0.807   2.156  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -8.626  -1.262   1.054  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -8.080  -1.423   0.212  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -9.969  -1.764   1.156  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -8.415  -0.690   3.276  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6